SCHEMBL1765165

SCHEMBL1765165

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)OCc3c(F)cccc3Cl)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 3/20 0.39
TPH1 P17752 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1765093 0.95 CCR1 (0.42) CCR1PPARGGAATPH1ALDH1A1
SCHEMBL15230430 0.91 CCR1 (0.40) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL12636272 0.90 CCR1 (0.46) CCR1PPARGKMT2AGAATPH1
SCHEMBL15230620 0.88 GAA (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15230947 0.88 CCR1 (0.40) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15231151 0.87 CCR1 (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15230828 0.87 GAA (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL20727027 0.86 POLB (0.44) CCR1KMT2AMEN1GAATPH1
SCHEMBL1120082 0.85 GAA (0.47) CCR1PPARGSMN1; SMN2GAATPH1
SCHEMBL1120075 0.84 CCR1 (0.41) CCR1PPARGGAATPH1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124501-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110124501-A1 Active compound combinations CYP51A1, CA4, BROX CCR1 1486/4885PPARG 402/4885KMT2A 3240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.